3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid

C12H18N2O3 — CID 55179540

IUPAC3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOCCCN(C)Cc1cccnc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-14(7-4-8-17-2)9-10-5-3-6-13-11(10)12(15)16/h3,5-6H,4,7-9H2,1-2H3,(H,15,16)
InChIKeyLLFYYSHINRHIDB-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.25
Rot. Bonds7

About 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid

3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 55179540) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID55179540
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOCCCN(C)Cc1cccnc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-14(7-4-8-17-2)9-10-5-3-6-13-11(10)12(15)16/h3,5-6H,4,7-9H2,1-2H3,(H,15,16)
InChIKeyLLFYYSHINRHIDB-UHFFFAOYSA-N
XLogP1.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63075429
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62985541
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068120
3-(2-methoxyethylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63098781
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146900
3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
CID 63073137
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63069142
3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 107518946
3-[2-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76981943
3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
CID 63069373
3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea
CID 53185077
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid (CID 55179540) is 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid is COCCCN(C)Cc1cccnc1C(=O)O.
What is the InChIKey of 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is LLFYYSHINRHIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(7-4-8-17-2)9-10-5-3-6-13-11(10)12(15)16/h3,5-6H,4,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid?
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 55179540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).